[QE-users] Phonon - 6.3- problem

[Suresh A]

Dear Christoph Wolf,
                             Thanks for your support.
                            Yes,  I compile it myself using gfortran and
openmpi software.
1)  Do I have to use other version? Could you please suggest me which
version exactly for workstation? I am asking this because you have
mentioned "MaX" version could be a problematic one.

2)         I did not add full input and out put file due to space. If you
want them, to find out where the error is, i can send it to you, sir.   And
the memory it requires is ( Taken  from scf output file):

One more thing is we do not have intel compiler in the department
workstation.

3) If you don't mind, I would like to ask this. Our  computer is
workstation. Which one is better one, MPI or OpenMpi?

 Estimated max dynamical RAM per process >      13.46 MB

     Estimated total dynamical RAM >     323.13 MB

     Initial potential from superposition of free atoms

     starting charge   31.99474, renormalised to   32.00000

     negative rho (up, down):  1.148E-05 0.000E+00
     Starting wfcs are   96 randomized atomic wfcs

     total cpu time spent up to now is        9.7 secs...................
                                              Thank you







                 Yours Sincerely,

A.Suresh,
Research Scholar,
School of Physics,
Madurai Kamaraj University,
Madurai.
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